N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine

C20H22N2O2S — CID 46551770

IUPACN-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc2cccnc12
InChIInChI=1S/C20H22N2O2S/c1-15(16-9-11-19(12-10-16)25(3,23)24)22(2)14-18-7-4-6-17-8-5-13-21-20(17)18/h4-13,15H,14H2,1-3H3
InChIKeyKNYLWIYARHRFIG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.83
Rot. Bonds5

About N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine

N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine (PubChem CID 46551770) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
PubChem CID46551770
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc2cccnc12
InChIInChI=1S/C20H22N2O2S/c1-15(16-9-11-19(12-10-16)25(3,23)24)22(2)14-18-7-4-6-17-8-5-13-21-20(17)18/h4-13,15H,14H2,1-3H3
InChIKeyKNYLWIYARHRFIG-UHFFFAOYSA-N
XLogP3.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
CID 42929119
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
trans-(1S,2S)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 96567800
N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 119982900
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
(1S)-N-methyl-1-(4-methylsulfonylphenyl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51728144
1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-2-ylurea
CID 71940347

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine (CID 46551770) is N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine is CC(c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc2cccnc12.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine?
The InChIKey is KNYLWIYARHRFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15(16-9-11-19(12-10-16)25(3,23)24)22(2)14-18-7-4-6-17-8-5-13-21-20(17)18/h4-13,15H,14H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine?
N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine has a molecular weight of 354.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine is sourced from PubChem (CID 46551770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).